SCHEMBL28943539

SCHEMBL28943539

CC(C)(C)OC(=O)NC[C@H](Cn1cc2cc(OC[C@H](ON3C(=O)c4ccccc4C3=O)C(=O)O)ccc2n1)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.31
▸ UTS2R Q9UKP6 1/20 0.31
▸ MALT1 Q9UDY8 1/20 0.30
▸ PDK2 Q15119 1/20 0.30
▸ PDCD1 Q15116 1/20 0.30
▸ CD274 Q9NZQ7 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28943542 1.00 PTPN1 (0.31) PTPN1UTS2RMALT1PDK2PDCD1
SCHEMBL19330432 0.95 SERPINE1 (0.31) MALT1PDK2
SCHEMBL19330434 0.95 SERPINE1 (0.31) MALT1PDK2
SCHEMBL19330430 0.95 SERPINE1 (0.31) MALT1PDK2
SCHEMBL28768737 0.89 PTPN1 (0.34) PTPN1UTS2RMALT1PDK2PDCD1
SCHEMBL21318471 0.89 PTPN1 (0.34) PTPN1UTS2RMALT1PDK2PDCD1
SCHEMBL19330500 0.85 MALT1 (0.33) PTPN1UTS2RMALT1PDK2
SCHEMBL19330498 0.85 MALT1 (0.33) PTPN1UTS2RMALT1PDK2
SCHEMBL28767620 0.85 SERPINE1 (0.34) PTPN1
SCHEMBL28767624 0.85 SERPINE1 (0.34) PTPN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108778273-B Bicyclic aryl monocyclic beta-lactam compounds and methods of use thereof for treating bacterial infections 默沙东公司 2022-06-17 — — CN disclosed
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